Chemical Properties of 1-Naphthalenecarbonitrile (CAS 86-53-3)

InChI

InChI=1S/C11H7N/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H

InChI Key

YJMNOKOLADGBKA-UHFFFAOYSA-N

Formula

C11H7N

SMILES

N#Cc1cccc2ccccc12

Molecular Weight¹

153.18

CAS

86-53-3

Other Names

• 1-Naphthalenenitrile
• 1-Naphthylnitrile
• 1-cyanonaphthalene
• 1-naphthonitrile
• 1-naphthyl cyanide
• NSC 60230
• Naphthalene-1-carbonitrile
• «alpha»-Cyanonaphthalene
• «alpha»-Naphthonitrile
• «alpha»-Naphthylnitrile

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• EA : Electron affinity (eV).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-5578.10	kJ/mol	NIST
EA	0.68 ± 0.10	eV	NIST
ΔfG°	384.35	kJ/mol	Joback Calculated Property
ΔfH°gas	310.64	kJ/mol	Joback Calculated Property
ΔfusH°	16.42	kJ/mol	Joback Calculated Property
ΔvapH°	55.14	kJ/mol	Joback Calculated Property
IE	[8.59; 8.61]	eV
IE	8.59	eV	NIST
IE	8.61	eV	NIST
log10WS	-3.63		Crippen Calculated Property
logPoct/wat	2.711		Crippen Calculated Property
McVol	124.010	ml/mol	McGowan Calculated Property
Pc	3310.55	kPa	Joback Calculated Property
Inp	[256.29; 1503.00]
Inp	1489.00		NIST
Inp	1500.00		NIST
Inp	1500.00		NIST
Inp	1503.00		NIST
Inp	1489.00		NIST
Inp	1489.00		NIST
Inp	256.29		NIST
Inp	256.75		NIST
Inp	256.29		NIST
Tboil	[572.15; 572.20]	K
Tboil	572.20	K	NIST
Tboil	572.15 ± 2.00	K	NIST
Tc	855.02	K	Joback Calculated Property
Tfus	308.65 ± 1.50	K	NIST
Vc	0.491	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[274.92; 329.14]	J/mol×K	[603.80; 855.02]
Cp,gas	274.92	J/mol×K	603.80	Joback Calculated Property
Cp,gas	286.01	J/mol×K	645.67	Joback Calculated Property
Cp,gas	296.16	J/mol×K	687.54	Joback Calculated Property
Cp,gas	305.46	J/mol×K	729.41	Joback Calculated Property
Cp,gas	314.00	J/mol×K	771.28	Joback Calculated Property
Cp,gas	321.87	J/mol×K	813.15	Joback Calculated Property
Cp,gas	329.14	J/mol×K	855.02	Joback Calculated Property
ΔvapH	88.60	kJ/mol	298.13	Standar...

Similar Compounds

Find more compounds similar to 1-Naphthalenecarbonitrile.

Sources

• Crippen Method
• Crippen Method
• Standard molar enthalpies of formation of 1- and 2-cyanonaphthalene
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.